Glycoside
GD153396
Name:
2-{3,4-dihydroxy-5-[(4-methylbenzenesulfonamido)methyl]oxolan-2-yl}-N-(prop-2-yn-1-yl)acetamideFormula:
C17H22O6N2SSmiles:
C#CCN=C(O)CC1OC(CNS(=O)(=O)c2ccc(C)cc2)C(O)C1OAglycone:
C#CCN=C(C)O.CNS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 382.44 | Num_heavy_atoms: | 26 |
| TPSA: | 128.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD08435
Formula: C8H11O2NS
Smiles:
CNS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.25 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
AD45077
Formula: C5H7ON
Smiles:
C#CCN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
